SCHEMBL2957181

SCHEMBL2957181

CC(C)(C)c1ccc(Nc2ccc(-c3ccc(Nc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.57
TSHR P16473 1/20 0.46
DHODH Q02127 1/20 0.45
LMNA P02545 1/20 0.44
TYR P14679 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
XDH P47989 2/20 0.43
SLC22A12 Q96S37 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13321302 1.00 KIF11 (0.57) KIF11TSHRDHODHLMNATYR
SCHEMBL49741 0.92 TSHR (0.52) KIF11TSHRDHODHLMNATYR
SCHEMBL2392625 0.92 TSHR (0.52) KIF11TSHRDHODHLMNATYR
SCHEMBL605442 0.91 ABCG2 (0.54) KIF11TSHRDHODHABCG2XDH
SCHEMBL20209149 0.91 ABCG2 (0.54) KIF11TSHRDHODHABCG2XDH
SCHEMBL22080286 0.91 ABCG2 (0.54) KIF11TSHRDHODHABCG2XDH
SCHEMBL12367613 0.91 ALDH1A1 (0.54) KIF11TSHRLMNAABCG2XDH
SCHEMBL13133429 0.91 ALDH1A1 (0.54) KIF11TSHRLMNAABCG2XDH
SCHEMBL24636454 0.89 KIF11 (0.49) KIF11DHODHABCG2XDHSLC22A12
SCHEMBL5396983 0.85 TSHR (0.46) KIF11TSHRDHODHLMNATYR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233084-B2 Electrochemical sensors OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-03-19 US disclosed
US-7772323-B2 Conjugated copolymers, representation and use thereof MERCK PATENT GMBH (DE) 2010-08-10 US disclosed
US-7772323-B2 Conjugated copolymers, representation and use thereof MERCK PATENT GMBH (DE) 2010-08-10 US disclosed
US-7772323-B2 Conjugated copolymers, representation and use thereof MERCK PATENT GMBH (DE) 2010-08-10 US disclosed
EP-1927610-B1 Process for the synthesis of aryl- or heteroarylamine boronic acid derivatives MERCK PATENT GMBH (DE) 2009-11-25 EP disclosed
EP-1927610-A2 Process for the synthesis of aryl- or heteroarylamine boronic acid derivatives Merck Patent GmbH (DE) 2008-06-04 EP disclosed
EP-1927610-A2 Process for the synthesis of aryl- or heteroarylamine boronic acid derivatives Merck Patent GmbH (DE) 2008-06-04 EP disclosed
EP-1656407-B1 CONJUGATED COPOLYMERS, REPRESENTATION AND USE THEREOF MERCK PATENT GMBH (DE) 2008-03-12 EP disclosed
EP-1656407-B1 CONJUGATED COPOLYMERS, REPRESENTATION AND USE THEREOF MERCK PATENT GMBH (DE) 2008-03-12 EP disclosed
US-20060229427-A1 Conjugated copolymers, representation and use thereof MERCK PATENT GMBH (DE) 2006-10-12 US disclosed
EP-1656407-A2 CONJUGATED COPOLYMERS, REPRESENTATION AND USE THEREOF Covion Organic Semiconductors GmbH (DE) 2006-05-17 EP disclosed
WO-2005014688-A2 CONJUGATED COPOLYMERS, REPRESENTATION AND USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2005-02-17 WO disclosed